PENICILLIN G HYDRABAMINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H64N2.2C16H18N2O4S
Molecular Weight	1265.751
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)C(O)=O.[H][C@]45SC(C)(C)[C@@H](N4C(=O)[C@H]5NC(=O)CC6=CC=CC=C6)C(O)=O.[H][C@@]78CCC9=C(C=CC(=C9)C(C)C)[C@@]7(C)CCC[C@@]8(C)CNCCNC[C@]%10(C)CCC[C@]%11(C)C%12=C(CC[C@@]%10%11[H])C=C(C=C%12)C(C)C

InChI

InChIKey=BIPGVSDEAYGJOG-YQUITFMISA-N

InChI=1S/C42H64N2.2C16H18N2O4S/c1-29(2)31-11-15-35-33(25-31)13-17-37-39(5,19-9-21-41(35,37)7)27-43-23-24-44-28-40(6)20-10-22-42(8)36-16-12-32(30(3)4)26-34(36)14-18-38(40)42;2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h11-12,15-16,25-26,29-30,37-38,43-44H,9-10,13-14,17-24,27-28H2,1-8H3;2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t37-,38-,39-,40-,41+,42+;2*11-,12+,14-/m011/s1

HIDE SMILES / InChI

Molecular Formula	C16H18N2O4S
Molecular Weight	334.39
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C42H64N2
Molecular Weight	596.971
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 14:57:50 UTC 2023` Edited by `admin` on `Fri Dec 15 14:57:50 UTC 2023`
Record UNII	667Y1107D3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PENICILLIN G HYDRABAMINE

Common Name

English

PENICILLIN G HYDRABAMINE [MI]

Common Name

English

Penicillin g hydrabamine [WHO-DD]

Common Name

English

Code System Code Type Description

PUBCHEM

76964871